CID 3109677

5-thiocyanato-thiazol-2-ylamine

Structural Information

Molecular Formula

C₄H₃N₃S₂

SMILES

C1=C(SC(=N1)N)SC#N

InChI

InChI=1S/C4H3N3S2/c5-2-8-3-1-7-4(6)9-3/h1H,(H2,6,7)

InChIKey

HUMARXMRTXDPPK-UHFFFAOYSA-N

Compound name

(2-amino-1,3-thiazol-5-yl) thiocyanate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 199
Patents: 156.97684 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	157.98412	133.7
[M+Na]+	179.96606	145.8
[M-H]-	155.96956	136.8
[M+NH4]+	175.01066	153.6
[M+K]+	195.94000	143.2
[M+H-H2O]+	139.97410	121.6
[M+HCOO]-	201.97504	145.4
[M+CH3COO]-	215.99069	146.1
[M+Na-2H]-	177.95151	134.8
[M]+	156.97629	129.9
[M]-	156.97739	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe